N-[3-(tert-butylamino)-5-(2-methylphenyl)-2-oxidanylidene-7-phenyl-azepan-1-yl]ethanamide

Systemtic Name: N-[3-(tert-butylamino)-5-(2-methylphenyl)-2-oxidanylidene-7-phenyl-azepan-1-yl]ethanamide Openeye Name: N-[3-(tert-butylamino)-5-(o-tolyl)-2-oxo-7-phenyl-azepan-1-yl]acetamide CAS Name: N-[3-(tert-butylamino)-5-(2-methylphenyl)-2-oxo-7-phenyl-1-azepanyl]acetamide IUPAC Name: N-[3-(tert-butylamino)-5-(2-methylphenyl)-2-oxo-7-phenylazepan-1-yl]acetamide Traditional Name: N-[3-(tert-butylamino)-2-keto-5-(o-tolyl)-7-phenyl-azepan-1-yl]acetamide Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CC(C(=O)N(C(C2)C3=CC=CC=C3)NC(=O)C)NC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C2CC(C(=O)N(C(C2)C3=CC=CC=C3)NC(=O)C)NC(C)(C)C

InChI

InChI=1S/C25H33N3O2/c1-17-11-9-10-14-21(17)20-15-22(26-25(3,4)5)24(30)28(27-18(2)29)23(16-20)19-12-7-6-8-13-19/h6-14,20,22-23,26H,15-16H2,1-5H3,(H,27,29)